Geometry & MOs

Info

ID:	233762
PubChem CID:	92093375
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	3.39
IP(EA), eV:	-8.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(furan-2-yl)pyridin-3-yl]methyl]-3-(4-methylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CCC(=O)NCC2=CN=C(C=C2)C3=CC=CO3

DOS

IR

Vibrations